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CAS 1551416-99-9 (1-Isopropylindazol-5-yl)boronic acid molecular structure lightbox
CAS RN: 1551416-99-9

(1-Isopropylindazol-5-yl)boronic acid

  • Product code: SSC-064453
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Historical Factory Record

Historical Supply Reference

This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.

  • Pack sizes on record: 1g
  • Available purity: ≥95%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
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Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 1551416-99-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shanghai Inquiry

1551416-99-9 / (1-propan-2-ylindazol-5-yl)boronic acid

Standard CAS: 1551416-99-9 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1551416-99-9
Multi CAS
No
Molecular Formula
C10H13BN2O2
Molecular Weight
204.040000
Exact Mass
204.107008
SMILES
B(C1=CC2=C(C=C1)N(N=C2)C(C)C)(O)O
InChI
InChI=1S/C10H13BN2O2/c1-7(2)13-10-4-3-9(11(14)15)5-8(10)6-12-13/h3-7,14-15H,1-2H3
InChIKey
YLROPYQTQXXFJY-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
15
Aromatic heavy atom count
9
Fraction Csp3
0.3
Rotatable bonds
2
H-bond acceptors
4
H-bond donors
2
Molar refractivity
59.94
TPSA
58.28

LogP / Solubility

WLOGP
0.3
MLOGP
0.26
XLogP3
0.3
Consensus LogP
0.29
Log S (ESOL)
-1.6
Class (ESOL)
Soluble
Log S (Ali)
-1.45
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.47
Class (SILICOS-IT)
Soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.75

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5

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